Person: ZENGİN KURT, BELMA
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Publication Synthesis, anticholinesterase activity and molecular modeling study of novel carbamate-substituted thymol/carvacrol derivatives(2017-02-15) KURT, Belma Zengin; Gazioglu, IŞIL; Dag, AYDAN; Salmas, Ramin Ekhteiari; Kayik, Gulru; Durdagi, Serdar; Sonmez, Fatih; ZENGİN KURT, BELMA; GAZİOĞLU, IŞIL; DAĞ, AYDANNew thymol and carvacrol derivatives with the carbamate moiety were synthesized and their inhibitory effects on acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) were evaluated. 5-isopropyl-2-methylphenyl(3-fluorophenyl)carbamate (29) was found to be the most potent AChE inhibitor with IC50 values of 2.22 mu M, and 5-isopropyl-2-methylphenyl (4-fluorophenyl)carbamate (30) exhibited the strongest inhibition against BuChE with IC50 value of 0.02 mu M. Additionally, the result of H4IIE hepatoma cell toxicity assay for compounds 18, 20, 29, 30 and 35 showed negligible cell death at 0.07-10 mu M. Moreover in order to better understand the inhibitory profiles of these molecules, molecular modeling studies were applied. Binding poses of studied compounds at the binding pockets of AChE and BuChE targets were determined. Predicted binding energies of these compounds as well as structural and dynamical profiles of molecules at the target sites were estimated using induced fit docking (IFD) algorithms and post-processing molecular dynamics (MD) simulations methods (i.e., Molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) approaches). (C) 2016 Elsevier Ltd. All rights reserved.Publication Novel metal complexes containing 6-methylpyridine-2-carboxylic acid as potent α-glucosidase inhibitor: synthesis, crystal structures, DFT calculations, and molecular docking(2020-01-01T00:00:00Z) Avcı, Davut; Altürk, Sümeyye; Sönmez, Fatih; Tamer, Ömer; Başoğlu, Adil; Atalay, Yusuf; ZENGİN KURT, BELMA; Dege, Necmi; ZENGİN KURT, BELMAPublication Synthesis, antioxidant and carbonic anhydrase I and II inhibitory activities of novel sulphonamide-substituted coumarylthiazole derivatives(2016-01-01) Kurt, BELMA; Sonmez, Fatih; Bilen, Cigdem; Ergun, Adem; Gencer, Nahit; Arslan, Oktay; Kucukislamoglu, Mustafa; ZENGİN KURT, BELMANew secondary benzenesulphonamide-substituted coumarylthiazole derivatives were synthesized and their inhibitory effects on purified carbonic anhydrase I and II were evaluated using CO2 as a substrate. The result showed that all the synthesized compounds exhibited inhibitory activity on both hCA I and hCA II with N-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl) naphthalene-2-sulphonamide (5f, IC50 value of 5.63 and 8.48 mu M, against hCA I and hCA II, respectively) as the strongest inhibitor revealed from this study. Structure-activity relationship revealed that the inhibitory activity of the synthesized compounds is related to the type of the halogen and bulky substituent on the phenyl ring. In addition, the cupric reducing antioxidant capacities (CUPRAC) and ABTS cation radical scavenging abilities of the synthesized compounds were assayed. 4-methoxy-N-(4-(2-oxo-2H-chromen-3-yl) thiazol-2-yl) benzenesulphonamide (5e) exhibited the strongest ABTS and CUPRAC activity with IC50 value of 48.83 mu M and A(0.50) value of 23.29 mu M ,Publication Synthesis of Biologically Active Novel Sulfonamide Derivatives(2018-12-15) Çakmak, Elmas Begüm; Kahvecioğlu, Dilay; ZENGİN KURT, BELMA; SONMEZ, FATIH; ÖZMEN, ÖZGE; ZENGİN KURT, BELMAPublication Synthesis, antioxidant activity and SAR study of novel spiro-isatin-based Schiff bases(2018-12-01) Sönmez, Fatih; ZENGİN KURT, BELMA; Küçükislamoğlu, Mustafa; Avcı, Davut; GAZİOĞLU, IŞIL; Güneşli, Zuhal; ZENGİN KURT, BELMA; GAZİOĞLU, IŞILA new series of 21 Schiff bases of spiro-isatin was synthesized, and their DPPH, CUPRAC and ABTS cation radical scavenging abilities were investigated for antioxidant activity. The results showed that all the synthesized compounds exhibited antioxidant activity for each assay. 5 & x30d;-(2,3-Dihydroxybenzylideneamino)spiro[[1,3] dioxolane-2,3 & x30d;-indoline]-2 & x30d;-on (5c) (IC50 = 4.49 mu M, for DPPH; IC50 = 0.39 mu M, for ABTS(.+); and A(0.50) = 0.42 mu M, for CUPRAC) showed significantly better ABTS, CUPRAC and DPPH radical scavenging ability than quercetin (IC50 = 8.69 mu M, for DPPH; IC50 = 15.49 mu M, for ABTS(.+); and A(0.50) = 18.47 mu M, for CUPRAC), which is used as a standard. SAR study showed that the synthesized compounds had higher ABTS(.+) activity than DPPH and CUPRAC activities. Moreover, the compounds (5c and 5d), containing two hydroxyl groups, exhibited the highest antioxidant activities for all assays. Quantum chemical calculations were also carried out to support SAR results.Publication Two New Co(II) Complexes of Picolinate: Synthesis, Crystal Structure, Spectral Characterization, -Glucosidase nhibition and TD/DFT Study(2019-07-01) Alturk, Suemeyye; Avci, Davut; Kurt, BELMA; Tamer, Omer; Basoglu, Adil; Sonmez, Fatih; Atalay, Yusuf; Dege, Necmi; ZENGİN KURT, BELMACo(II) complexes of 2-picolinic acid (picH) and 6-methylpyridine-2-carboxylic acid (6-MepicH) {[Co(pic)(2)2H(2)O], (1), [Co(6-Mepic)(pic)2H(2)O], (2)} were obtained and their structural and spectroscopic properties were investigated by XRD, FT-IR and UV-Vis spectroscopic techniques. The measurement of -glucosidase inhibition of the synthesized complex 2 was fulfilled by IC50 values. In order to provide further explanations about the electronic spectral properties, TD-DFT calculations in ethanol solvent and gas phase were carried out. HSEh1PBE/6-311G(d,p) level has been used to calculate the nonlinear optics (NLO) parameters and frontier molecular orbital (FMO) energies. The experimental refractive indexes and optical band gap energies for the Co(II) complexes have been obtained using FT-IR and UV-Vis spectra, respectively. Lastly, the molecular docking study of Co(II) complexes was carried out in order to demonstrate interactions between the synthesized complexes and target protein (the template structure S. cerevisiae isomaltase).Publication Synthesis and Characterization of Sorafenib Gold Complex(2019-07-03T00:00:00Z) ZENGİN KURT, BELMA; BENKLİ, KADRİYE; ZENGİN KURT, BELMAPublication Synthesis of coumarin-sulfonamide derivatives and determination of their cytotoxicity, carbonic anhydrase inhibitory and molecular docking studies(2019-12-01) ZENGİN KURT, BELMA; SÖNMEZ, FATİH; ÖZTÜRK, DİLEK; AKDEMİR, ATİLLA; Angeli, Andrea; Supuran, Claudiu T; ZENGİN KURT, BELMA; ÖZTÜRK CİVELEK, DİLEK; AKDEMİR, ATİLLAPublication Synthesis of novel Schiff bases as potential antioxidant agents(2018-06-30) SONMEZ, FATIH; Güneşli, Zuhal; ZENGİN KURT, BELMA; GAZİOĞLU, IŞIL; KUCUKISLAMOGLU, MUSTAFA; ZENGİN KURT, BELMA; GAZİOĞLU, IŞILPublication In vitro biological screening of ten edible plants from middle black sea region(2015-11-27) ZENGİN KURT, BELMA; GAZİOĞLU, IŞIL; SEVGİ, ECE; Sonmez, Fatih; ZENGİN KURT, BELMA; GAZİOĞLU, IŞIL; SEVGİ, ECE